4X6L
Crystal structure of S. aureus TarM in complex with UDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-12-01 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.978 |
Spacegroup name | P 63 |
Unit cell lengths | 162.289, 162.289, 228.024 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 66.110 - 3.190 |
R-factor | 0.1666 |
Rwork | 0.165 |
R-free | 0.19070 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.190 |
Data reduction software | XDS |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.110 | 3.260 |
High resolution limit [Å] | 3.190 | 3.190 |
Rmerge | 0.271 | |
Number of reflections | 55989 | |
<I/σ(I)> | 7.4 | 1.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.7 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 8-10% w/v PEG 3350, 200 mM NaCl, 200 mM sodium acetate (pH 8.0), 100 mM HEPES (pH 7.0) and 20 % ethylene glycol |